#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbi h VAL 3 N 0.00 1.18 -0.73 -3.33 2.07 -1.89 -1.59 116.25 111.95 1hbi h VAL 3 Ca 0.00 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1hbi h VAL 3 Cb 0.00 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.82 1hbi h VAL 3 CO 0.00 0.18 0.43 0.22 0.02 0.00 0.00 177.57 178.42 1hbi h TYR 4 N 0.98 0.79 0.42 1.57 3.20 -1.95 0.68 116.97 122.67 1hbi h TYR 4 Ca 0.27 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1hbi h TYR 4 Cb -0.10 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.93 1hbi h TYR 4 CO -0.02 0.40 -0.20 -0.44 -1.64 0.00 0.00 178.16 176.25 1hbi h ASP 5 N 0.80 -0.48 -0.12 -2.11 3.32 -1.80 0.58 116.42 116.61 1hbi h ASP 5 Ca 0.32 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.40 1hbi h ASP 5 Cb 0.16 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 1hbi h ASP 5 CO -0.17 -0.30 -0.26 0.00 -1.72 0.00 0.00 179.24 176.80 1hbi h ALA 6 N -0.05 -0.26 0.31 3.45 0.00 -0.97 -1.48 119.26 120.27 1hbi h ALA 6 Ca -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hbi h ALA 6 Cb 0.46 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1hbi h ALA 6 CO 0.09 -0.72 -0.28 0.00 0.00 0.00 0.00 179.25 178.34 1hbi h ALA 7 N 0.59 -0.61 -0.37 0.00 0.00 0.69 -2.25 119.26 117.31 1hbi h ALA 7 Ca 0.10 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1hbi h ALA 7 Cb 0.47 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1hbi h ALA 7 CO -0.31 -0.87 0.45 0.00 0.00 0.00 0.00 179.25 178.52 1hbi h ALA 8 N -0.03 2.03 0.00 0.00 0.00 0.28 -2.26 119.26 119.29 1hbi h ALA 8 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1hbi h ALA 8 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1hbi h ALA 8 CO -0.04 -0.64 -0.37 -0.56 0.00 0.00 0.00 179.25 177.64 1hbi h GLN 9 N 0.00 0.00 -6.26 0.00 -0.00 -0.63 -3.45 115.11 104.77 1hbi h GLN 9 Ca 0.17 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.21 1hbi h GLN 9 Cb 1.07 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.57 1hbi h GLN 9 CO -0.00 0.35 1.14 1.28 -0.00 0.00 0.00 178.83 181.60 1hbi n LEU 10 N -3.18 3.45 -4.98 0.06 4.77 -0.85 -4.96 117.00 111.30 1hbi n LEU 10 Ca 0.02 0.92 -0.21 0.00 -0.03 0.00 0.00 56.01 56.71 1hbi n LEU 10 Cb 0.68 -1.38 0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1hbi n LEU 10 CO 0.39 -0.08 0.40 0.42 -1.33 0.00 0.00 177.39 177.19 1hbi s THR 11 N 4.38 2.52 0.33 -5.08 -4.23 -1.26 -4.86 115.64 107.45 1hbi s THR 11 Ca 0.94 -0.67 0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1hbi s THR 11 Cb -0.67 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 70.62 1hbi s THR 11 CO 0.51 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.43 1hbi h ALA 12 N -0.05 1.74 -0.28 3.99 0.00 -1.99 0.18 119.26 122.85 1hbi h ALA 12 Ca -0.40 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1hbi h ALA 12 Cb 1.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1hbi h ALA 12 CO 0.49 -0.00 -0.11 -0.44 0.00 0.00 0.00 179.25 179.19 1hbi h ASP 13 N 0.78 0.57 -0.62 0.00 3.32 -1.99 -1.14 116.42 117.34 1hbi h ASP 13 Ca 0.49 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1hbi h ASP 13 Cb 0.71 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1hbi h ASP 13 CO -0.25 0.84 0.14 0.58 -1.72 0.00 0.00 179.24 178.82 1hbi h VAL 14 N 0.30 1.26 -0.38 -1.35 2.07 -1.72 -1.69 116.25 114.73 1hbi h VAL 14 Ca 0.06 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1hbi h VAL 14 Cb 0.61 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1hbi h VAL 14 CO 0.04 0.35 0.23 0.11 0.02 0.00 0.00 177.57 178.32 1hbi h LYS 15 N 0.92 0.52 -0.10 1.57 1.57 -0.57 -0.91 116.57 119.57 1hbi h LYS 15 Ca 0.19 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1hbi h LYS 15 Cb 0.38 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1hbi h LYS 15 CO 0.00 0.40 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.99 1hbi h LYS 16 N 0.50 -0.07 -0.84 3.15 1.63 -1.00 -0.80 116.57 119.14 1hbi h LYS 16 Ca 0.14 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1hbi h LYS 16 Cb 0.01 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.60 1hbi h LYS 16 CO -0.03 -0.05 0.52 -0.44 -3.45 0.00 0.00 179.45 176.01 1hbi h ASP 17 N -0.08 0.83 0.01 4.20 3.32 -0.95 0.29 116.42 124.04 1hbi h ASP 17 Ca 0.06 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1hbi h ASP 17 Cb 0.17 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1hbi h ASP 17 CO -0.15 0.54 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.84 1hbi h LEU 18 N 0.97 -0.01 -0.46 1.55 3.38 -0.67 -1.79 115.31 118.28 1hbi h LEU 18 Ca 0.36 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1hbi h LEU 18 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1hbi h LEU 18 CO -0.16 0.10 0.26 0.03 0.09 0.00 0.00 178.44 178.76 1hbi h ARG 19 N -0.12 0.63 -0.19 1.13 3.08 -0.84 -0.04 114.38 118.03 1hbi h ARG 19 Ca -0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1hbi h ARG 19 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1hbi h ARG 19 CO 0.00 0.49 0.12 -0.44 -1.07 0.00 0.00 179.97 179.07 1hbi h ASP 20 N 0.60 0.22 -0.18 7.04 3.32 -0.92 -0.58 116.42 125.93 1hbi h ASP 20 Ca 0.16 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1hbi h ASP 20 Cb 0.03 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1hbi h ASP 20 CO -0.03 0.20 -0.45 0.77 -1.72 0.00 0.00 179.24 178.01 1hbi h SER 21 N 0.23 0.79 -0.56 6.45 4.64 -1.21 -3.13 113.55 120.76 1hbi h SER 21 Ca 0.07 -0.38 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1hbi h SER 21 Cb 0.01 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1hbi h SER 21 CO -0.01 1.12 0.14 -0.25 -0.87 0.00 0.00 176.83 176.95 1hbi h TRP 22 N 0.59 0.98 -1.31 4.77 2.91 -0.79 0.26 115.95 123.35 1hbi h TRP 22 Ca 0.04 -0.10 0.39 0.00 1.13 0.00 0.00 58.89 60.35 1hbi h TRP 22 Cb 1.00 -0.28 -0.10 0.00 -0.51 0.00 0.00 29.16 29.27 1hbi h TRP 22 CO 0.05 0.81 0.88 0.87 -1.03 0.00 0.00 178.44 180.02 1hbi h LYS 23 N 0.90 0.13 0.00 2.65 1.57 -1.04 0.28 116.57 121.06 1hbi h LYS 23 Ca 0.19 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1hbi h LYS 23 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1hbi h LYS 23 CO 0.00 0.09 -1.20 0.28 -0.57 0.00 0.00 179.45 178.05 1hbi n VAL 24 N -4.49 1.49 -0.31 0.50 0.31 -0.69 -4.03 118.33 111.10 1hbi n VAL 24 Ca 0.33 0.03 -0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1hbi n VAL 24 Cb 1.34 -2.21 0.18 0.00 -0.91 0.00 0.00 33.84 32.23 1hbi n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1hbi h ILE 25 N -1.00 1.21 -0.00 2.52 1.08 -0.80 -2.41 117.51 118.10 1hbi h ILE 25 Ca -0.20 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1hbi h ILE 25 Cb 1.03 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1hbi h ILE 25 CO -0.12 0.22 -0.05 0.61 -0.69 0.00 0.00 178.15 178.11 1hbi n GLY 26 N -1.40 -1.04 0.17 5.37 0.00 0.98 -3.41 105.19 105.85 1hbi n GLY 26 Ca 0.11 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1hbi n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hbi h SER 27 N 0.33 0.00 -3.34 1.61 4.64 -1.55 -3.37 113.55 111.86 1hbi h SER 27 Ca 0.00 -0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1hbi h SER 27 Cb 0.28 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.97 1hbi h SER 27 CO 0.00 0.00 -0.72 -0.62 -0.87 0.00 0.00 176.83 174.62 1hbi s ASP 28 N -5.45 3.67 0.10 4.97 2.15 -1.22 -4.97 116.67 115.91 1hbi s ASP 28 Ca 0.09 -3.01 -0.13 0.00 0.43 0.00 0.00 52.55 49.93 1hbi s ASP 28 Cb 0.08 -1.15 -0.16 0.00 -0.30 0.00 0.00 42.92 41.39 1hbi s ASP 28 CO 0.64 -0.21 1.29 0.11 -0.17 0.00 0.00 175.17 176.83 1hbi h LYS 29 N 6.24 0.79 0.27 4.34 1.57 -1.81 -1.11 116.57 126.86 1hbi h LYS 29 Ca 0.06 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1hbi h LYS 29 Cb 0.88 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1hbi h LYS 29 CO 0.54 1.27 -0.24 -0.22 -0.57 0.00 0.00 179.45 180.22 1hbi h LYS 30 N 0.53 -0.52 -0.23 3.15 3.64 -1.92 0.27 116.57 121.49 1hbi h LYS 30 Ca -0.06 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1hbi h LYS 30 Cb 1.45 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1hbi h LYS 30 CO 0.17 -0.34 -0.01 0.78 -2.27 0.00 0.00 179.45 177.77 1hbi h GLY 31 N -0.54 0.45 1.16 5.01 0.00 -1.97 -1.90 103.07 105.29 1hbi h GLY 31 Ca -0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 46.76 1hbi h GLY 31 CO -0.04 0.31 -0.71 3.43 0.00 0.00 0.00 176.54 179.53 1hbi h ASN 32 N 0.18 0.96 -0.40 0.19 2.35 -1.26 -1.66 115.58 115.94 1hbi h ASN 32 Ca 0.06 -0.60 -0.03 0.00 -0.55 0.00 0.00 56.30 55.18 1hbi h ASN 32 Cb 0.43 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1hbi h ASN 32 CO 0.01 1.40 0.15 1.23 -1.65 0.00 0.00 177.43 178.57 1hbi h GLY 33 N 0.57 0.64 0.97 2.83 0.00 -0.45 -1.24 103.07 106.40 1hbi h GLY 33 Ca -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1hbi h GLY 33 CO 0.15 0.34 0.24 -2.08 0.00 0.00 0.00 176.54 175.19 1hbi h VAL 34 N 0.49 1.20 -0.30 4.60 2.07 -1.36 -1.88 116.25 121.07 1hbi h VAL 34 Ca 0.13 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1hbi h VAL 34 Cb 0.21 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1hbi h VAL 34 CO -0.01 0.22 -0.13 0.00 0.02 0.00 0.00 177.57 177.67 1hbi h ALA 35 N 1.08 0.11 -0.33 1.67 0.00 -1.21 -0.06 119.26 120.52 1hbi h ALA 35 Ca 0.17 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1hbi h ALA 35 Cb 0.13 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1hbi h ALA 35 CO -0.02 -0.53 -0.16 -0.07 0.00 0.00 0.00 179.25 178.48 1hbi h LEU 36 N -0.09 -0.53 -0.20 0.00 3.38 -0.97 -0.66 115.31 116.25 1hbi h LEU 36 Ca 0.15 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1hbi h LEU 36 Cb 0.32 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1hbi h LEU 36 CO -0.36 -0.19 0.04 0.24 0.09 0.00 0.00 178.44 178.26 1hbi h MET 37 N -0.10 0.32 -0.39 1.13 2.86 -1.03 -0.66 114.93 117.05 1hbi h MET 37 Ca 0.17 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1hbi h MET 37 Cb 0.36 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1hbi h MET 37 CO -0.40 0.45 -0.12 1.79 1.06 0.00 0.00 176.91 179.70 1hbi h THR 38 N 0.12 1.25 -0.47 2.22 1.35 -0.93 -1.55 112.91 114.91 1hbi h THR 38 Ca 0.06 -1.14 -0.03 0.00 -0.55 0.00 0.00 66.41 64.75 1hbi h THR 38 Cb 0.28 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1hbi h THR 38 CO 0.00 0.38 0.18 0.74 -0.25 0.00 0.00 175.52 176.58 1hbi h THR 39 N 0.63 1.21 -0.21 6.82 2.02 -1.01 -0.24 112.91 122.13 1hbi h THR 39 Ca 0.11 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.69 1hbi h THR 39 Cb 0.57 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 67.67 1hbi h THR 39 CO 0.04 0.24 -0.26 0.25 0.37 0.00 0.00 175.52 176.16 1hbi h LEU 40 N 0.62 -0.82 -1.37 2.58 5.85 -0.70 -0.74 115.31 120.74 1hbi h LEU 40 Ca 0.16 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1hbi h LEU 40 Cb 0.20 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1hbi h LEU 40 CO -0.01 -0.30 0.38 -0.26 -0.34 0.00 0.00 178.44 177.91 1hbi h PHE 41 N -0.28 0.77 -0.07 1.25 0.04 -0.98 0.18 116.94 117.86 1hbi h PHE 41 Ca 0.13 0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.68 1hbi h PHE 41 Cb 0.48 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1hbi h PHE 41 CO -0.40 0.50 -0.87 0.00 -0.60 0.00 0.00 178.31 176.95 1hbi h ALA 42 N 1.59 0.35 0.00 2.45 0.00 -0.51 -3.18 119.26 119.96 1hbi h ALA 42 Ca 0.22 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1hbi h ALA 42 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1hbi h ALA 42 CO -0.04 0.73 -1.37 -0.25 0.00 0.00 0.00 179.25 178.32 1hbi n ASP 43 N -3.85 0.77 -3.23 0.00 8.00 -0.33 -4.50 116.55 113.41 1hbi n ASP 43 Ca -0.07 0.32 -0.24 0.00 0.71 0.00 0.00 54.79 55.51 1hbi n ASP 43 Cb 0.79 0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 42.22 1hbi n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1hbi n ASN 44 N -2.78 1.46 0.29 -2.24 4.13 0.61 -4.95 115.26 111.78 1hbi n ASN 44 Ca -0.07 -3.00 0.15 0.00 1.68 0.00 0.00 54.58 53.34 1hbi n ASN 44 Cb 0.75 -0.64 0.91 0.00 -1.54 0.00 0.00 39.78 39.26 1hbi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1hbi h GLN 45 N 3.82 0.00 0.00 3.52 7.50 -1.75 -1.27 115.11 126.93 1hbi h GLN 45 Ca 0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.26 1hbi h GLN 45 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.34 1hbi h GLN 45 CO 0.58 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 177.06 1hbi n GLU 46 N -3.85 0.18 0.10 1.46 0.00 -1.26 -2.11 120.64 115.17 1hbi n GLU 46 Ca -0.02 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.76 1hbi n GLU 46 Cb 0.11 -1.92 0.18 0.00 0.00 0.00 0.00 31.44 29.81 1hbi n GLU 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1hbi h THR 47 N 0.00 0.00 -0.82 3.84 1.35 -1.59 -3.38 112.91 112.31 1hbi h THR 47 Ca 0.00 -0.67 0.12 0.00 -0.55 0.00 0.00 66.41 65.31 1hbi h THR 47 Cb 0.24 1.37 -0.08 0.00 -1.73 0.00 0.00 68.15 67.95 1hbi h THR 47 CO 0.00 0.00 0.43 0.40 -0.25 0.00 0.00 175.52 176.10 1hbi h ILE 48 N 0.00 0.80 -0.89 6.82 2.04 -1.58 -1.46 117.51 123.23 1hbi h ILE 48 Ca 0.00 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 65.78 1hbi h ILE 48 Cb 0.84 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1hbi h ILE 48 CO 0.00 0.12 0.57 1.23 0.00 0.00 0.00 178.15 180.07 1hbi h GLY 49 N 0.67 1.18 2.00 5.37 0.00 -1.79 -0.80 103.07 109.70 1hbi h GLY 49 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1hbi h GLY 49 CO -0.32 0.08 0.00 -0.97 0.00 0.00 0.00 176.54 175.34 1hbi h TYR 50 N 0.67 0.00 -0.48 5.60 0.05 -1.55 -3.07 116.97 118.19 1hbi h TYR 50 Ca 0.45 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 59.06 1hbi h TYR 50 Cb 0.75 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.39 1hbi h TYR 50 CO -0.00 0.00 0.11 1.19 -1.05 0.00 0.00 178.16 178.40 1hbi n PHE 51 N -2.79 1.58 -0.07 4.88 3.01 -0.30 -4.69 117.46 119.08 1hbi n PHE 51 Ca -0.01 -1.30 0.22 0.00 1.01 0.00 0.00 57.45 57.37 1hbi n PHE 51 Cb 0.12 -0.53 0.68 0.00 -0.01 0.00 0.00 39.48 39.74 1hbi n PHE 51 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1hbi h LYS 52 N 1.67 0.04 -0.02 -1.08 2.10 -1.66 0.40 116.57 118.01 1hbi h LYS 52 Ca 0.20 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.86 1hbi h LYS 52 Cb 1.88 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.20 1hbi h LYS 52 CO 0.50 0.02 0.02 -0.09 -2.00 0.00 0.00 179.45 177.90 1hbi h ARG 53 N 0.04 0.00 0.00 0.07 2.43 -1.90 -1.97 114.38 113.04 1hbi h ARG 53 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1hbi h ARG 53 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1hbi h ARG 53 CO -0.02 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.72 1hbi n LEU 54 N -4.36 0.00 0.00 3.80 4.77 0.13 -5.01 117.00 116.33 1hbi n LEU 54 Ca -0.03 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1hbi n LEU 54 Cb 0.11 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1hbi n LEU 54 CO 0.32 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1hbi n GLY 55 N 1.27 0.11 3.52 -0.72 0.00 -0.74 -4.46 105.19 104.16 1hbi n GLY 55 Ca 0.08 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1hbi n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hbi s ASN 56 N -4.00 6.20 0.34 1.61 3.84 -1.26 -4.84 114.94 116.83 1hbi s ASN 56 Ca 0.00 -0.54 0.26 0.00 0.21 0.00 0.00 52.86 52.79 1hbi s ASN 56 Cb 0.00 -2.51 1.07 0.00 -0.55 0.00 0.00 41.25 39.26 1hbi s ASN 56 CO 0.00 -1.65 1.79 -0.37 -2.79 0.00 0.00 177.10 174.07 1hbi h VAL 57 N 6.03 0.00 0.00 -5.21 -1.51 -1.94 -2.68 116.25 110.94 1hbi h VAL 57 Ca -0.28 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1hbi h VAL 57 Cb 1.06 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1hbi h VAL 57 CO 1.23 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 178.34 1hbi h SER 58 N 0.00 0.00 0.38 4.19 4.64 -1.98 -2.94 113.55 117.84 1hbi h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hbi h SER 58 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1hbi h SER 58 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1hbi n GLN 59 N -2.83 0.30 0.00 4.77 1.13 -1.01 -4.95 117.38 114.79 1hbi n GLN 59 Ca -0.01 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1hbi n GLN 59 Cb 0.17 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1hbi n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hbi n GLY 60 N 0.46 3.06 0.32 1.08 0.00 -1.11 -2.08 105.19 106.91 1hbi n GLY 60 Ca 0.10 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.94 1hbi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hbi h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.92 -2.09 114.93 114.38 1hbi h MET 61 Ca 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 1hbi h MET 61 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1hbi h MET 61 CO 0.00 0.00 -0.18 0.00 -0.40 0.00 0.00 176.91 176.33 1hbi h ALA 62 N 1.86 1.22 -1.68 0.39 0.00 -1.84 -3.42 119.26 115.79 1hbi h ALA 62 Ca 0.07 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 1hbi h ALA 62 Cb 0.33 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1hbi h ALA 62 CO -0.00 0.22 0.84 1.21 0.00 0.00 0.00 179.25 181.52 1hbi s ASN 63 N -6.25 6.45 0.31 0.00 3.84 -0.79 -4.93 114.94 113.57 1hbi s ASN 63 Ca -0.02 0.04 -0.01 0.00 0.21 0.00 0.00 52.86 53.08 1hbi s ASN 63 Cb 0.12 -2.52 0.47 0.00 -0.55 0.00 0.00 41.25 38.78 1hbi s ASN 63 CO 0.61 -1.35 1.95 -2.24 -2.79 0.00 0.00 177.10 173.28 1hbi h ASP 64 N 9.41 0.87 -0.08 -4.21 2.03 -1.87 0.15 116.42 122.73 1hbi h ASP 64 Ca -0.25 -0.05 -0.12 0.00 -0.73 0.00 0.00 57.03 55.89 1hbi h ASP 64 Cb 1.06 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 1hbi h ASP 64 CO 1.14 0.67 -0.32 0.11 -1.03 0.00 0.00 179.24 179.81 1hbi h LYS 65 N 1.01 0.56 -0.27 4.15 1.57 -1.92 0.03 116.57 121.71 1hbi h LYS 65 Ca 0.26 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1hbi h LYS 65 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1hbi h LYS 65 CO -0.05 0.81 -0.16 1.25 -0.57 0.00 0.00 179.45 180.73 1hbi h LEU 66 N 0.48 0.61 -0.42 2.94 5.85 -1.64 -0.85 115.31 122.27 1hbi h LEU 66 Ca 0.06 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1hbi h LEU 66 Cb 0.79 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1hbi h LEU 66 CO 0.06 0.90 0.13 -0.09 -0.34 0.00 0.00 178.44 179.11 1hbi h ARG 67 N 0.32 0.66 -0.52 1.25 2.43 -0.51 -0.99 114.38 117.02 1hbi h ARG 67 Ca 0.06 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1hbi h ARG 67 Cb 0.69 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1hbi h ARG 67 CO 0.05 0.65 0.13 0.78 -1.51 0.00 0.00 179.97 180.06 1hbi h GLY 68 N 0.54 0.86 1.14 2.80 0.00 -0.82 -1.65 103.07 105.94 1hbi h GLY 68 Ca 0.14 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1hbi h GLY 68 CO -0.00 0.46 -0.25 0.84 0.00 0.00 0.00 176.54 177.58 1hbi h HIS 69 N 0.77 1.12 -0.43 5.60 -0.00 -0.99 -2.28 115.15 118.95 1hbi h HIS 69 Ca 0.17 -0.29 -0.11 0.00 -0.00 0.00 0.00 60.37 60.15 1hbi h HIS 69 Cb 0.28 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1hbi h HIS 69 CO 0.02 1.11 -0.15 0.77 -0.00 0.00 0.00 177.93 179.67 1hbi h SER 70 N 0.83 0.87 -0.34 3.26 0.02 -0.83 0.96 113.55 118.31 1hbi h SER 70 Ca 0.10 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 1hbi h SER 70 Cb 0.83 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1hbi h SER 70 CO 0.07 1.05 0.04 0.40 -1.14 0.00 0.00 176.83 177.25 1hbi h ILE 71 N 0.68 1.24 -0.83 3.27 2.04 -1.31 -2.82 117.51 119.77 1hbi h ILE 71 Ca 0.10 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.12 1hbi h ILE 71 Cb 0.70 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1hbi h ILE 71 CO 0.05 0.29 0.54 0.74 0.00 0.00 0.00 178.15 179.77 1hbi h THR 72 N 0.40 1.14 -0.90 -0.27 2.02 -1.18 -1.27 112.91 112.85 1hbi h THR 72 Ca 0.10 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 67.02 1hbi h THR 72 Cb 0.39 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.73 1hbi h THR 72 CO 0.01 0.19 0.58 0.25 0.37 0.00 0.00 175.52 176.92 1hbi h LEU 73 N 1.05 0.80 -1.25 2.58 6.46 -0.58 -1.40 115.31 122.96 1hbi h LEU 73 Ca 0.33 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 58.04 1hbi h LEU 73 Cb -0.01 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1hbi h LEU 73 CO -0.11 0.46 -0.31 0.24 -0.62 0.00 0.00 178.44 178.10 1hbi h MET 74 N 0.87 0.10 0.00 1.25 2.86 -1.01 -1.66 114.93 117.35 1hbi h MET 74 Ca 0.42 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.94 1hbi h MET 74 Cb 0.44 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1hbi h MET 74 CO -0.18 0.41 -0.43 1.88 1.06 0.00 0.00 176.91 179.65 1hbi h TYR 75 N 0.09 0.00 -0.59 -0.22 0.05 -0.85 0.92 116.97 116.37 1hbi h TYR 75 Ca 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1hbi h TYR 75 Cb 0.61 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1hbi h TYR 75 CO 0.00 0.43 0.17 0.00 -1.05 0.00 0.00 178.16 177.71 1hbi h ALA 76 N 1.57 0.77 -0.46 3.88 0.00 -0.85 -0.51 119.26 123.67 1hbi h ALA 76 Ca -0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1hbi h ALA 76 Cb 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1hbi h ALA 76 CO 0.06 0.46 -0.24 -0.07 0.00 0.00 0.00 179.25 179.46 1hbi h LEU 77 N 0.84 0.98 -0.50 0.00 3.38 -1.19 -1.36 115.31 117.47 1hbi h LEU 77 Ca 0.19 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1hbi h LEU 77 Cb 0.31 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1hbi h LEU 77 CO -0.00 1.17 0.14 -0.61 0.09 0.00 0.00 178.44 179.23 1hbi h GLN 78 N 0.82 0.29 -0.02 1.13 5.75 -0.62 -0.76 115.11 121.70 1hbi h GLN 78 Ca 0.10 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1hbi h GLN 78 Cb 0.81 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 1hbi h GLN 78 CO 0.07 0.19 -0.13 -0.97 -2.65 0.00 0.00 178.83 175.34 1hbi h ASN 79 N 0.30 -0.39 -0.38 -0.69 -0.73 -0.71 -0.87 115.58 112.11 1hbi h ASN 79 Ca 0.24 0.06 0.07 0.00 1.87 0.00 0.00 56.30 58.55 1hbi h ASN 79 Cb 0.29 0.17 -0.07 0.00 0.27 0.00 0.00 38.32 38.98 1hbi h ASN 79 CO -0.28 -0.19 -0.07 -0.26 -0.37 0.00 0.00 177.43 176.26 1hbi h PHE 80 N -0.21 -0.15 -0.50 0.67 0.04 -0.85 -2.04 116.94 113.89 1hbi h PHE 80 Ca 0.05 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1hbi h PHE 80 Cb 0.28 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1hbi h PHE 80 CO -0.20 -0.14 0.26 0.82 -0.60 0.00 0.00 178.31 178.45 1hbi h ILE 81 N 0.03 1.18 0.00 -0.55 1.08 -0.75 -2.32 117.51 116.18 1hbi h ILE 81 Ca 0.18 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 1hbi h ILE 81 Cb 0.27 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1hbi h ILE 81 CO -0.37 0.20 -0.16 0.44 -0.69 0.00 0.00 178.15 177.57 1hbi h ASP 82 N 0.66 0.00 -0.07 1.72 3.32 -0.74 -2.79 116.42 118.52 1hbi h ASP 82 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1hbi h ASP 82 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1hbi h ASP 82 CO -0.03 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1hbi n GLN 83 N -4.03 1.46 0.02 3.56 1.13 -0.81 -4.54 117.38 114.16 1hbi n GLN 83 Ca -0.02 -0.68 0.06 0.00 -1.94 0.00 0.00 57.00 54.42 1hbi n GLN 83 Cb 0.24 -1.40 0.47 0.00 0.11 0.00 0.00 30.24 29.66 1hbi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1hbi h LEU 84 N 1.47 0.38 -0.02 1.08 3.38 -1.32 -2.06 115.31 118.21 1hbi h LEU 84 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hbi h LEU 84 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1hbi h LEU 84 CO 0.00 0.26 0.00 0.47 0.09 0.00 0.00 178.44 179.26 1hbi n ASP 85 N -4.48 0.19 -3.85 -0.43 8.00 -1.26 -4.40 116.55 110.31 1hbi n ASP 85 Ca 0.04 0.52 -0.30 0.00 0.71 0.00 0.00 54.79 55.76 1hbi n ASP 85 Cb 0.14 -0.57 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 1hbi n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1hbi s ASN 86 N -3.35 4.11 0.38 -2.24 3.84 -0.77 -4.99 114.94 111.92 1hbi s ASN 86 Ca 0.12 -2.57 0.17 0.00 0.21 0.00 0.00 52.86 50.80 1hbi s ASN 86 Cb 0.16 -1.32 1.09 0.00 -0.55 0.00 0.00 41.25 40.63 1hbi s ASN 86 CO 0.51 -0.29 1.74 -0.65 -2.79 0.00 0.00 177.10 175.62 1hbi h PRO 87 N 6.96 0.39 -0.58 0.43 0.11 -1.77 -0.60 132.00 136.93 1hbi h PRO 87 Ca -0.05 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1hbi h PRO 87 Cb 0.94 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 1hbi h PRO 87 CO 0.56 0.25 0.27 -0.44 -0.21 0.00 0.00 178.00 178.43 1hbi h ASP 88 N 0.40 0.77 -0.21 -2.05 3.32 -1.94 0.86 116.42 117.57 1hbi h ASP 88 Ca 0.64 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 57.41 1hbi h ASP 88 Cb 1.57 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1hbi h ASP 88 CO -0.37 0.70 -0.43 0.44 -1.72 0.00 0.00 179.24 177.86 1hbi h ASP 89 N 0.79 0.74 -0.87 6.45 3.32 -1.63 -2.69 116.42 122.53 1hbi h ASP 89 Ca 0.20 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.72 1hbi h ASP 89 Cb 0.14 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1hbi h ASP 89 CO -0.02 1.15 0.57 0.25 -1.72 0.00 0.00 179.24 179.47 1hbi h LEU 90 N 0.36 0.96 -0.42 1.55 5.85 -1.02 -1.85 115.31 120.74 1hbi h LEU 90 Ca 0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1hbi h LEU 90 Cb 1.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1hbi h LEU 90 CO 0.10 0.68 0.26 0.58 -0.34 0.00 0.00 178.44 179.71 1hbi h VAL 91 N 1.13 1.12 0.00 1.05 2.07 -0.73 -0.76 116.25 120.13 1hbi h VAL 91 Ca 0.33 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 1hbi h VAL 91 Cb -0.06 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1hbi h VAL 91 CO -0.10 0.12 -0.46 0.00 0.02 0.00 0.00 177.57 177.16 1hbi h VAL 93 N 0.00 1.31 -0.42 0.00 -1.51 -1.02 -2.77 116.25 111.84 1hbi h VAL 93 Ca -0.00 -2.42 0.07 0.00 -1.23 0.00 0.00 66.70 63.11 1hbi h VAL 93 Cb 0.82 2.56 -0.06 0.00 -2.13 0.00 0.00 31.29 32.49 1hbi h VAL 93 CO 0.06 0.74 0.08 0.58 -1.23 0.00 0.00 177.57 177.79 1hbi h VAL 94 N 0.30 0.77 -0.63 7.19 2.07 -0.90 -1.55 116.25 123.49 1hbi h VAL 94 Ca -0.15 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1hbi h VAL 94 Cb 1.80 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1hbi h VAL 94 CO 0.22 0.04 0.32 -0.33 0.02 0.00 0.00 177.57 177.84 1hbi h GLU 95 N 0.21 0.88 0.08 1.57 5.08 -1.21 0.23 114.58 121.41 1hbi h GLU 95 Ca 0.21 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1hbi h GLU 95 Cb 0.26 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1hbi h GLU 95 CO -0.28 0.67 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.14 1hbi h LYS 96 N 0.89 -0.10 -0.26 2.33 3.11 -1.16 -2.17 116.57 119.21 1hbi h LYS 96 Ca 0.22 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.00 1hbi h LYS 96 Cb 0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 1hbi h LYS 96 CO -0.03 0.03 -0.14 0.74 -2.81 0.00 0.00 179.45 177.24 1hbi h PHE 97 N -0.21 0.47 -0.70 1.91 0.04 -0.92 -2.78 116.94 114.76 1hbi h PHE 97 Ca -0.01 -0.07 0.05 0.00 2.80 0.00 0.00 57.97 60.74 1hbi h PHE 97 Cb 0.17 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.15 1hbi h PHE 97 CO -0.04 0.57 0.42 0.00 -0.60 0.00 0.00 178.31 178.66 1hbi h ALA 98 N 1.45 0.94 -0.72 2.45 0.00 -0.35 -2.17 119.26 120.86 1hbi h ALA 98 Ca 0.08 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1hbi h ALA 98 Cb 0.49 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1hbi h ALA 98 CO 0.03 0.14 0.44 0.28 0.00 0.00 0.00 179.25 180.14 1hbi h VAL 99 N 0.79 1.07 -0.55 0.00 2.07 -1.11 0.28 116.25 118.79 1hbi h VAL 99 Ca 0.30 -0.29 0.15 0.00 0.82 0.00 0.00 66.70 67.68 1hbi h VAL 99 Cb 0.12 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1hbi h VAL 99 CO -0.15 0.15 0.39 0.78 0.02 0.00 0.00 177.57 178.77 1hbi h ASN 100 N 0.85 0.05 0.17 0.57 -0.26 -1.32 -2.00 115.58 113.64 1hbi h ASN 100 Ca 0.30 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.69 1hbi h ASN 100 Cb 0.06 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.27 1hbi h ASN 100 CO -0.13 0.03 -2.11 1.41 -1.06 0.00 0.00 177.43 175.56 1hbi n HIS 101 N -4.39 0.61 -0.37 1.19 8.25 0.01 -4.03 115.22 116.49 1hbi n HIS 101 Ca 0.10 0.17 -0.02 0.00 -0.26 0.00 0.00 57.72 57.71 1hbi n HIS 101 Cb 0.59 -1.10 0.11 0.00 1.12 0.00 0.00 29.99 30.72 1hbi n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1hbi h ILE 102 N 0.02 1.24 0.00 1.59 2.04 -0.31 -1.02 117.51 121.07 1hbi h ILE 102 Ca -0.45 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1hbi h ILE 102 Cb 2.05 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1hbi h ILE 102 CO 0.03 0.24 0.00 0.71 0.00 0.00 0.00 178.15 179.14 1hbi h THR 103 N 1.33 0.00 -0.55 -0.27 1.35 -1.54 -1.63 112.91 111.60 1hbi h THR 103 Ca 0.37 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1hbi h THR 103 Cb -0.13 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1hbi h THR 103 CO -0.09 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.72 1hbi n ARG 104 N -2.96 2.66 -3.41 4.72 3.00 -0.47 -4.97 116.66 115.23 1hbi n ARG 104 Ca -0.01 -2.40 -0.21 0.00 -0.01 0.00 0.00 57.85 55.23 1hbi n ARG 104 Cb 0.19 -1.47 0.07 0.00 0.00 0.00 0.00 32.46 31.25 1hbi n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1hbi n LYS 105 N 1.29 -6.75 -3.22 5.56 4.01 -0.61 -4.97 118.16 113.48 1hbi n LYS 105 Ca 0.20 0.73 -0.42 0.00 -0.51 0.00 0.00 58.31 58.31 1hbi n LYS 105 Cb 0.56 -5.45 -0.08 0.00 -0.51 0.00 0.00 35.03 29.55 1hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1hbi s ILE 106 N -3.26 4.98 0.80 -0.18 -1.09 -0.69 -5.03 121.20 116.72 1hbi s ILE 106 Ca 0.49 0.22 -0.11 0.00 -2.23 0.00 0.00 60.65 59.02 1hbi s ILE 106 Cb -0.22 -4.03 0.07 0.00 -1.58 0.00 0.00 42.46 36.70 1hbi s ILE 106 CO 0.61 -0.33 1.09 -0.94 -1.23 0.00 0.00 174.94 174.14 1hbi s SER 107 N 1.82 4.36 0.25 3.58 1.04 -1.26 -4.45 113.70 119.04 1hbi s SER 107 Ca 0.19 1.60 -0.04 0.00 0.48 0.00 0.00 55.95 58.18 1hbi s SER 107 Cb -0.15 -2.33 0.39 0.00 0.10 0.00 0.00 66.02 64.03 1hbi s SER 107 CO 0.15 -2.09 1.82 0.00 0.98 0.00 0.00 173.24 174.09 1hbi h ALA 108 N -1.17 1.19 -0.52 5.32 0.00 -1.87 0.59 119.26 122.80 1hbi h ALA 108 Ca -0.46 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1hbi h ALA 108 Cb 1.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1hbi h ALA 108 CO 0.55 0.13 -0.13 0.00 0.00 0.00 0.00 179.25 179.79 1hbi h ALA 109 N 1.45 0.71 -0.11 0.00 0.00 -1.94 -2.09 119.26 117.28 1hbi h ALA 109 Ca 0.40 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1hbi h ALA 109 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1hbi h ALA 109 CO -0.24 0.64 -0.64 0.93 0.00 0.00 0.00 179.25 179.95 1hbi h GLU 110 N 0.87 0.41 -0.79 0.00 5.08 -1.83 -2.72 114.58 115.60 1hbi h GLU 110 Ca 0.13 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1hbi h GLU 110 Cb 0.70 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1hbi h GLU 110 CO 0.05 0.91 0.50 0.35 -1.00 0.00 0.00 179.01 179.83 1hbi h PHE 111 N 0.30 1.01 0.00 4.33 3.57 -0.74 -1.86 116.94 123.55 1hbi h PHE 111 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1hbi h PHE 111 Cb 1.18 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1hbi h PHE 111 CO 0.04 0.66 0.00 0.78 -2.23 0.00 0.00 178.31 177.56 1hbi h GLY 112 N 1.08 0.00 2.00 2.40 0.00 -1.06 -2.56 103.07 104.92 1hbi h GLY 112 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1hbi h GLY 112 CO -0.06 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.98 1hbi h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.22 -2.40 116.57 119.32 1hbi h LYS 113 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1hbi h LYS 113 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hbi h LYS 113 CO 0.00 0.00 -0.13 0.97 -0.57 0.00 0.00 179.45 179.72 1hbi h ILE 114 N 0.00 0.37 -0.92 1.86 6.09 -1.66 -3.27 117.51 119.98 1hbi h ILE 114 Ca 0.00 -0.77 0.13 0.00 -1.37 0.00 0.00 64.86 62.85 1hbi h ILE 114 Cb 0.05 1.56 -0.09 0.00 0.47 0.00 0.00 36.82 38.82 1hbi h ILE 114 CO 0.00 0.13 0.54 0.78 -3.07 0.00 0.00 178.15 176.53 1hbi h ASN 115 N 0.00 0.75 0.58 2.19 2.35 -1.68 -1.53 115.58 118.25 1hbi h ASN 115 Ca -0.00 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1hbi h ASN 115 Cb 0.55 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1hbi h ASN 115 CO 0.02 0.38 -0.32 1.23 -1.65 0.00 0.00 177.43 177.08 1hbi h GLY 116 N 0.83 -0.96 0.12 2.83 0.00 -1.80 0.25 103.07 104.34 1hbi h GLY 116 Ca 0.47 0.38 0.20 0.00 0.00 0.00 0.00 47.33 48.38 1hbi h GLY 116 CO -0.30 -0.34 0.61 -2.55 0.00 0.00 0.00 176.54 173.97 1hbi h PRO 117 N -0.84 0.70 -0.11 4.80 0.11 -1.73 -1.18 132.00 133.75 1hbi h PRO 117 Ca -0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1hbi h PRO 117 Cb 0.66 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1hbi h PRO 117 CO 0.10 0.46 0.02 0.82 -0.21 0.00 0.00 178.00 179.20 1hbi h ILE 118 N 0.72 1.21 -0.80 4.15 2.04 -0.98 -0.30 117.51 123.56 1hbi h ILE 118 Ca 0.57 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.87 1hbi h ILE 118 Cb 0.95 1.45 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 1hbi h ILE 118 CO -0.37 0.19 0.43 0.50 0.00 0.00 0.00 178.15 178.91 1hbi h LYS 119 N -0.05 0.69 -0.30 2.37 3.64 0.15 0.02 116.57 123.10 1hbi h LYS 119 Ca 0.03 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1hbi h LYS 119 Cb 0.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1hbi h LYS 119 CO 0.00 0.46 -0.09 0.87 -2.27 0.00 0.00 179.45 178.42 1hbi h LYS 120 N 0.71 0.59 -0.45 1.90 1.57 -0.94 -0.89 116.57 119.06 1hbi h LYS 120 Ca 0.39 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1hbi h LYS 120 Cb 0.41 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1hbi h LYS 120 CO -0.27 0.79 0.09 0.28 -0.57 0.00 0.00 179.45 179.77 1hbi h VAL 121 N 0.35 1.24 0.11 0.50 2.07 -0.67 -1.58 116.25 118.26 1hbi h VAL 121 Ca 0.07 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1hbi h VAL 121 Cb 0.58 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1hbi h VAL 121 CO 0.03 0.30 -0.15 -0.07 0.02 0.00 0.00 177.57 177.70 1hbi h LEU 122 N 0.60 -0.42 -0.92 2.57 3.38 -0.83 -2.51 115.31 117.18 1hbi h LEU 122 Ca 0.14 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.38 1hbi h LEU 122 Cb 0.35 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1hbi h LEU 122 CO 0.01 -0.23 0.44 0.00 0.09 0.00 0.00 178.44 178.75 1hbi h ALA 123 N 0.53 1.51 -0.25 1.53 0.00 -0.94 -0.13 119.26 121.52 1hbi h ALA 123 Ca 0.02 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1hbi h ALA 123 Cb 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1hbi h ALA 123 CO -0.07 -0.32 0.18 0.66 0.00 0.00 0.00 179.25 179.69 1hbi h SER 124 N 0.44 0.07 -0.53 0.00 4.64 -0.83 0.46 113.55 117.81 1hbi h SER 124 Ca 0.58 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1hbi h SER 124 Cb 1.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1hbi h SER 124 CO -0.51 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 175.78 1hbi n LYS 125 N -4.48 4.30 -2.22 4.77 4.01 -0.18 -4.97 118.16 119.38 1hbi n LYS 125 Ca 0.03 -3.04 -0.20 0.00 -0.51 0.00 0.00 58.31 54.59 1hbi n LYS 125 Cb 0.28 -2.11 -0.02 0.00 -0.51 0.00 0.00 35.03 32.67 1hbi n LYS 125 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1hbi n ASN 126 N 0.50 -5.57 -4.60 4.39 4.13 0.15 -4.99 115.26 109.27 1hbi n ASN 126 Ca 0.26 0.08 -0.41 0.00 1.68 0.00 0.00 54.58 56.18 1hbi n ASN 126 Cb 1.07 -4.64 -0.06 0.00 -1.54 0.00 0.00 39.78 34.61 1hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1hbi s PHE 127 N -2.93 3.22 0.00 3.10 0.08 -0.48 -4.96 117.98 116.01 1hbi s PHE 127 Ca 0.00 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1hbi s PHE 127 Cb 0.00 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 1hbi s PHE 127 CO 0.00 -0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.07 1hbi n GLY 128 N 4.39 0.60 0.34 4.36 0.00 -1.26 -2.69 105.19 110.93 1hbi n GLY 128 Ca -0.01 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1hbi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hbi h ASP 129 N 0.00 0.98 -0.60 1.61 3.32 -1.97 -1.04 116.42 118.72 1hbi h ASP 129 Ca 0.00 -0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.11 1hbi h ASP 129 Cb 0.00 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.26 1hbi h ASP 129 CO 0.00 0.69 0.27 0.50 -1.72 0.00 0.00 179.24 178.98 1hbi h LYS 130 N 1.15 0.48 -0.27 3.56 3.64 -1.99 -0.66 116.57 122.48 1hbi h LYS 130 Ca 0.34 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1hbi h LYS 130 Cb -0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1hbi h LYS 130 CO -0.10 0.31 -0.15 1.88 -2.27 0.00 0.00 179.45 179.13 1hbi h TYR 131 N 0.49 0.68 -0.61 1.91 0.05 -1.56 -1.97 116.97 115.95 1hbi h TYR 131 Ca 0.29 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1hbi h TYR 131 Cb 0.29 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1hbi h TYR 131 CO -0.13 0.84 0.26 0.00 -1.05 0.00 0.00 178.16 178.07 1hbi h ALA 132 N 0.74 1.30 -0.70 3.88 0.00 -0.91 -1.52 119.26 122.05 1hbi h ALA 132 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1hbi h ALA 132 Cb 0.67 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1hbi h ALA 132 CO 0.04 0.53 0.19 -0.91 0.00 0.00 0.00 179.25 179.10 1hbi h ASN 133 N 0.88 1.05 -0.14 0.00 -0.26 -1.07 -0.70 115.58 115.33 1hbi h ASN 133 Ca 0.21 -0.22 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1hbi h ASN 133 Cb 0.15 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1hbi h ASN 133 CO -0.02 1.00 0.08 0.00 -1.06 0.00 0.00 177.43 177.42 1hbi h ALA 134 N 1.09 0.18 -0.92 -0.83 0.00 -0.67 -2.41 119.26 115.69 1hbi h ALA 134 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hbi h ALA 134 Cb 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1hbi h ALA 134 CO -0.00 -0.29 0.57 -1.49 0.00 0.00 0.00 179.25 178.04 1hbi h TRP 135 N 0.14 1.20 -0.47 0.00 4.06 -1.05 -2.08 115.95 117.74 1hbi h TRP 135 Ca 0.05 0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.05 1hbi h TRP 135 Cb 0.06 -0.40 -0.03 0.00 -1.00 0.00 0.00 29.16 27.80 1hbi h TRP 135 CO -0.04 0.79 0.32 0.00 -3.56 0.00 0.00 178.44 175.94 1hbi h ALA 136 N 1.31 1.85 -0.30 1.49 0.00 -0.99 -0.51 119.26 122.11 1hbi h ALA 136 Ca 0.33 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1hbi h ALA 136 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1hbi h ALA 136 CO -0.07 0.08 -0.39 0.87 0.00 0.00 0.00 179.25 179.75 1hbi h LYS 137 N 0.47 0.70 -0.21 0.00 1.57 -0.88 -0.87 116.57 117.36 1hbi h LYS 137 Ca 0.20 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1hbi h LYS 137 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1hbi h LYS 137 CO -0.05 0.97 -0.06 1.25 -0.57 0.00 0.00 179.45 180.98 1hbi h LEU 138 N 0.58 0.41 -1.27 2.94 5.85 -0.91 -2.88 115.31 120.03 1hbi h LEU 138 Ca 0.05 -0.38 0.15 0.00 0.84 0.00 0.00 57.88 58.54 1hbi h LEU 138 Cb 0.92 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1hbi h LEU 138 CO 0.08 0.70 0.58 0.58 -0.34 0.00 0.00 178.44 180.05 1hbi h VAL 139 N 0.13 0.82 0.00 1.05 2.07 -1.07 -1.52 116.25 117.72 1hbi h VAL 139 Ca 0.05 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1hbi h VAL 139 Cb 0.53 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1hbi h VAL 139 CO 0.02 0.13 -0.22 0.00 0.02 0.00 0.00 177.57 177.52 1hbi h ALA 140 N 1.60 1.38 -0.32 1.67 0.00 -0.94 -0.26 119.26 122.39 1hbi h ALA 140 Ca 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1hbi h ALA 140 Cb 0.75 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1hbi h ALA 140 CO -0.22 0.28 0.16 0.28 0.00 0.00 0.00 179.25 179.75 1hbi h VAL 141 N 0.00 1.15 -0.42 0.00 2.07 -1.18 -1.60 116.25 116.28 1hbi h VAL 141 Ca -0.00 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1hbi h VAL 141 Cb 0.47 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1hbi h VAL 141 CO 0.03 0.16 0.04 0.58 0.02 0.00 0.00 177.57 178.40 1hbi h VAL 142 N 0.39 1.25 0.00 2.57 2.07 -1.31 -2.74 116.25 118.48 1hbi h VAL 142 Ca 0.11 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1hbi h VAL 142 Cb 0.11 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1hbi h VAL 142 CO -0.01 0.33 -0.04 1.56 0.02 0.00 0.00 177.57 179.42 1hbi h GLN 143 N 0.56 0.00 0.00 1.57 4.20 -0.72 -0.67 115.11 120.06 1hbi h GLN 143 Ca 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1hbi h GLN 143 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1hbi h GLN 143 CO 0.01 0.04 -0.13 0.00 -0.67 0.00 0.00 178.83 178.08 1hbi h ALA 144 N 1.96 1.25 -0.01 3.87 0.00 -0.98 -2.32 119.26 123.03 1hbi h ALA 144 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1hbi h ALA 144 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hbi h ALA 144 CO 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 179.25 179.16 1hbi n ALA 145 N -2.27 3.07 0.38 0.00 0.00 -0.27 -4.53 120.51 116.90 1hbi n ALA 145 Ca -0.02 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 52.95 1hbi n ALA 145 Cb 0.25 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78